N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide

C11H22N2O2 — CID 79393786

IUPACN-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
SMILESCC(C)(O)CNCCCC(=O)NC1CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,15)8-12-7-3-4-10(14)13-9-5-6-9/h9,12,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyCLYJKPKSAXYHHU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.41
Rot. Bonds7

About N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide

N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide (PubChem CID 79393786) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
PubChem CID79393786
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
SMILESCC(C)(O)CNCCCC(=O)NC1CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,15)8-12-7-3-4-10(14)13-9-5-6-9/h9,12,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyCLYJKPKSAXYHHU-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644717
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
CID 79623575
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
N-cyclopropyl-3-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 104760412
N,N'-dicyclopropyldecanediamide
CID 4668836
N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide (CID 79393786) is N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide is CC(C)(O)CNCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide?
The InChIKey is CLYJKPKSAXYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,15)8-12-7-3-4-10(14)13-9-5-6-9/h9,12,15H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide?
N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide is sourced from PubChem (CID 79393786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).